N-Boc-DL-leucinol - CAS 142121-48-0
Catalog: |
BB009300 |
Product Name: |
N-Boc-DL-leucinol |
CAS: |
142121-48-0 |
Synonyms: |
N-(1-hydroxy-4-methylpentan-2-yl)carbamic acid tert-butyl ester; tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate |
Description: | N-Boc-DL-leucinol (CAS# 142121-48-0) is a useful research chemical. |
Molecular Weight: | 217.31 |
Molecular Formula: | C11H23NO3 |
Canonical SMILES: | CC(C)CC(CO)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14) |
InChI Key: | LQTMEOSBXTVYRM-UHFFFAOYSA-N |
Boiling Point: | 213 °C (lit.) |
Density: | 0.983 g/mL at 25°C(lit.) |
MDL: | MFCD01883028 |
LogP: | 2.30900 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020361960-A1 | Sulfur-containing polycyclic-hydroxypyridone carboxamide analog against hiv | 20180523 |
US-2019127411-A1 | Glycolipopeptide biosurfactants | 20160406 |
US-2020207799-A1 | Glycolipopeptide biosurfactants | 20160406 |
WO-2015153720-A1 | Biaryl kinase inhibitors | 20140402 |
EA-028587-B1 | Aryl lactam kinase inhibitors | 20140129 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.16779360 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.16779360 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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